3AYZ
Membrane-bound respiratory [NiFe] hydrogenase from Hydrogenovibrio marinus in an air-oxidized condition
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SPRING-8 BEAMLINE BL44XU |
| Synchrotron site | SPring-8 |
| Beamline | BL44XU |
| Temperature [K] | 90 |
| Detector technology | CCD |
| Collection date | 2010-10-21 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.9000 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 75.646, 116.664, 113.612 |
| Unit cell angles | 90.00, 91.34, 90.00 |
Refinement procedure
| Resolution | 20.000 - 1.220 |
| R-factor | 0.139 |
| R-free | 0.17100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ayx |
| RMSD bond length | 0.018 |
| RMSD bond angle | 0.034 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | SHELXL-97 |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.240 |
| High resolution limit [Å] | 1.220 | 1.220 |
| Rmerge | 0.084 | 0.385 |
| Number of reflections | 578159 | |
| <I/σ(I)> | 12.5 | 3.3 |
| Completeness [%] | 99.6 | 99.4 |
| Redundancy | 4.1 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 0.1M PIPES, 15% PEG 3350, 300mM lithium sulfate, 5mM DTT, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
